ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00759
Compound Name3alpha-Hydroxy-21beta-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
Chemical ClassOrganic Chemicals
Molecular Weight430.626
logP4.222
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability999.963
logSwat-5.815
Number of Primary Metabolites4
Polar Surface Area67.703
Rotatable Bonds2
logKhsa0.891
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.725
Blood Brain Barrier (logBB)-0.486
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2438
NPACT   -
TaxKB   -
Structure Download

 






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